methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate

C16H21Br2NO2 — CID 61070207

IUPACmethyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(N)c2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C16H21Br2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-8-11(17)4-5-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3
InChIKeyWCDAZQWIRSBXPO-UHFFFAOYSA-N
MW419.16 g/mol
LogP4.72
Rot. Bonds5

About methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate

methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate (PubChem CID 61070207) has the molecular formula C16H21Br2NO2 and a molecular weight of 419.16 g/mol. Its IUPAC name is methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate
PubChem CID61070207
Molecular FormulaC16H21Br2NO2
Molecular Weight419.16 g/mol
Exact Mass416.99
IUPAC Namemethyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate
SMILESCOC(=O)CC1(CC(N)c2cc(Br)ccc2Br)CCCC1
InChIInChI=1S/C16H21Br2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-8-11(17)4-5-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3
InChIKeyWCDAZQWIRSBXPO-UHFFFAOYSA-N
XLogP4.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.16
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
CID 61070965
methyl 2-[1-[2-amino-2-(4-bromo-5-methylthiophen-2-yl)ethyl]cyclohexyl]acetate
CID 102828927
methyl 2-[1-[2-amino-2-(5-bromothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 61104186
2-[1-[2-amino-2-(2-bromo-4-methoxyphenyl)ethyl]cyclopentyl]acetic acid
CID 61070396
methyl 2-[1-[2-amino-2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetate
CID 80532193
methyl 2-[1-[2-amino-2-(4-chlorophenyl)ethyl]cyclohexyl]acetate
CID 60860658
ethyl (3S)-3-amino-3-(2,5-dibromophenyl)propanoate;hydrochloride
CID 171235056
ethyl (3R)-3-amino-3-(2,5-dibromophenyl)propanoate;hydrochloride
CID 171215423
ethyl 4-amino-4-(2,5-dibromophenyl)butanoate
CID 54927613
ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate?
The IUPAC name of methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate (CID 61070207) is methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate?
The canonical SMILES for methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate is COC(=O)CC1(CC(N)c2cc(Br)ccc2Br)CCCC1.
What is the InChIKey of methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate?
The InChIKey is WCDAZQWIRSBXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Br2NO2/c1-21-15(20)10-16(6-2-3-7-16)9-14(19)12-8-11(17)4-5-13(12)18/h4-5,8,14H,2-3,6-7,9-10,19H2,1H3.
What are the key properties of methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate?
methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate has a molecular weight of 419.16 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-amino-2-(2,5-dibromophenyl)ethyl]cyclopentyl]acetate is sourced from PubChem (CID 61070207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).